Crystallography Open Database

Information card for entry 4329150

Preview

Coordinates	4329150.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H39 Cu N15 O11 Tb W
Calculated formula	C41 H37 Cu N15 O11 Tb W
SMILES	C[O]1c2cccc3c2[O]2[Cu]45[N](=C3)CCC[N]4=Cc3cccc4c3[O]5[Tb]3512(ON(=[O]3)=O)(ON(=[O]5)=O)([O]4C)[OH2].c1cccc2c3cccc[n]3[W](C#N)(C#N)(C#N)(C#N)(C#N)(C#N)[n]12.C(#N)C.C(#N)C.C(#N)C
Title of publication	[W(bipy)(CN)6]-: A Suitable Metalloligand in the Design of Heterotrimetallic Complexes. The First CuIILnIIIWV Trinuclear Complexes
Authors of publication	Maria-Gabriela Alexandru; Diana Visinescu; Augustin M. Madalan; Francesc Lloret; Miguel Julve; Marius Andruh
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	4906 - 4908
a	11.884 ± 0.002 Å
b	14.068 ± 0.003 Å
c	14.851 ± 0.003 Å
α	79.119 ± 0.016°
β	82.145 ± 0.016°
γ	85.588 ± 0.015°
Cell volume	2412 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1462
Residual factor for significantly intense reflections	0.1129
Weighted residual factors for significantly intense reflections	0.2421
Weighted residual factors for all reflections included in the refinement	0.259
Goodness-of-fit parameter for all reflections included in the refinement	1.184
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179394 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/91.	4329150.cif
78190	2013-04-01	cif/ Adding structures of 4329150 via cif-deposit CGI script.	4329150.cif